Surface relaxation of SrTiO3(001)

Charlton, G., Brennan, S., Muryn, C.A., McGrath, R., Norman, D., Turner, Tracy and Thornton, G. (2000) Surface relaxation of SrTiO3(001). Surface Science, 457 (1-2). L376-L380. ISSN 0039-6028

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Abstract

Surface X-ray diffraction has been used to examine the 300 K structure of SrTiO3(001)1×1 with a termination of 78% TiO and 22% SrO. The data indicate that a lateral ferroelectric distortion is absent on both terminations, consistent with a recent theoretical calculation. Although the negligible Ti atom relaxation found on the TiO termination is consistent with medium-energy ion scattering data, it differs from recent density functional theory calculations by 0.13 and 0.16 Å. In contrast, the Sr displacement towards the SrO surface of 0.22±0.07 Å is in good agreement with theory.

Item Type:	Article
Subjects:	Q Science > QC Physics
Schools:	Research and Enterprise Directorate
Related URLs:	Author
Depositing User:	Rosemary Wood
Date Deposited:	27 Mar 2014 16:06
Last Modified:	04 Apr 2018 11:30
URI:	http://eprints.hud.ac.uk/id/eprint/19614

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